3-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxane

C15H26O2 — CID 176604926

IUPAC3-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxane
SMILESCC1OCCCC1CCOC=C1CCCCC1
InChIInChI=1S/C15H26O2/c1-13-15(8-5-10-17-13)9-11-16-12-14-6-3-2-4-7-14/h12-13,15H,2-11H2,1H3
InChIKeyBSWLLKOFAIPTCJ-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.06
Rot. Bonds4

About 3-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxane

3-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxane (PubChem CID 176604926) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxane.

Molecular Properties

Compound Name3-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxane
PubChem CID176604926
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxane
SMILESCC1OCCCC1CCOC=C1CCCCC1
InChIInChI=1S/C15H26O2/c1-13-15(8-5-10-17-13)9-11-16-12-14-6-3-2-4-7-14/h12-13,15H,2-11H2,1H3
InChIKeyBSWLLKOFAIPTCJ-UHFFFAOYSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4,6-Trimethyl-2-methylideneoxane
CID 20614547
5-ethoxy-2-ethyl-3,4-dimethyl-3,4-dihydro-2H-pyran
CID 67917175
(2S,6R)-2,6-dimethyl-4-(2-methylprop-2-enyl)oxane
CID 68217092
2-Methyl-4-prop-1-en-2-yloxane
CID 68321307
(2R)-2-methyl-4-prop-1-en-2-yloxane
CID 90152455
5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]-3,4-dihydro-2H-pyran
CID 126703875
2-Methyl-4-[1-(2-methyloxan-4-yl)ethenoxymethyl]oxane
CID 142140596
1-Methyl-3-methylidenecyclohexane;2-methyloxane
CID 157289946
(3R)-3,4-dimethyl-3,4-dihydro-2H-pyran;(3S,5R)-2,3,4,5-tetramethyloxane
CID 158761039
(2S)-2,3,4-trimethyl-6-methylideneoxane
CID 164080726
(2R,4R)-2-(methoxymethyl)-4-prop-1-en-2-yloxane
CID 167458888
4-[1-(Cyclohexylidenemethoxy)ethyl]oxane
CID 176602976

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxane?
The IUPAC name of 3-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxane (CID 176604926) is 3-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxane.
What is the SMILES notation for 3-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxane?
The canonical SMILES for 3-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxane is CC1OCCCC1CCOC=C1CCCCC1.
What is the InChIKey of 3-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxane?
The InChIKey is BSWLLKOFAIPTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-13-15(8-5-10-17-13)9-11-16-12-14-6-3-2-4-7-14/h12-13,15H,2-11H2,1H3.
What are the key properties of 3-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxane?
3-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxane has a molecular weight of 238.37 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylidenemethoxy)ethyl]-2-methyloxane is sourced from PubChem (CID 176604926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).